CID 3085771

72252-47-2

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

C1C2(COC(O1)OC2)CO

InChI

InChI=1S/C6H10O4/c7-1-6-2-8-5(9-3-6)10-4-6/h5,7H,1-4H2

InChIKey

WABHYJTYGYNPTR-UHFFFAOYSA-N

Compound name

2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 146.0579 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.06518	126.2
[M+Na]+	169.04712	136.2
[M+NH4]+	164.09172	137.6
[M+K]+	185.02106	130.1
[M-H]-	145.05062	127.3
[M+Na-2H]-	167.03257	124.4
[M]+	146.05735	128.0
[M]-	146.05845	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe